4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile

C23H21FN4O2 — CID 169123498

IUPAC4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
SMILESCc1ccc2c(n1)c(N1CCC3(CC1)Cc1cc(F)ccc1O3)c(C#N)c(=O)n2C
InChIInChI=1S/C23H21FN4O2/c1-14-3-5-18-20(26-14)21(17(13-25)22(29)27(18)2)28-9-7-23(8-10-28)12-15-11-16(24)4-6-19(15)30-23/h3-6,11H,7-10,12H2,1-2H3
InChIKeyVBTUWNFJUVHTLW-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.23
Rot. Bonds1

About 4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile

4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile (PubChem CID 169123498) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
PubChem CID169123498
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
SMILESCc1ccc2c(n1)c(N1CCC3(CC1)Cc1cc(F)ccc1O3)c(C#N)c(=O)n2C
InChIInChI=1S/C23H21FN4O2/c1-14-3-5-18-20(26-14)21(17(13-25)22(29)27(18)2)28-9-7-23(8-10-28)12-15-11-16(24)4-6-19(15)30-23/h3-6,11H,7-10,12H2,1-2H3
InChIKeyVBTUWNFJUVHTLW-UHFFFAOYSA-N
XLogP3.23
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-5-oxo-7-[5-(trifluoromethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile
CID 169122883
4-[(3aR,6aR)-2-(4-fluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 169123482
4-[4-[(4-fluorophenyl)-(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 153384400
6-chloro-4-[4-[(4-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 150215107
4-[4-[bis(4-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-isocyano-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 161254525
8-[(3R)-4-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146530560
8-[(3R,4R)-4-[(4-fluorophenyl)methyl-methylamino]-3-methylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 171904345
4-[3,6-dimethyl-5-[N-methyl-4-(trifluoromethoxy)anilino]azocan-1-yl]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 169123134
4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 175993662
6-chloro-4-[(3S,4R)-4-(4-fluoro-2-hydroxyanilino)-3-methylpiperidin-1-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 169123259
4-[4-[(4-fluorophenyl)-(2-hydroxyphenyl)methyl]piperazin-1-yl]-6-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 150403546
4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019490

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile (CID 169123498) is 4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile is Cc1ccc2c(n1)c(N1CCC3(CC1)Cc1cc(F)ccc1O3)c(C#N)c(=O)n2C.
What is the InChIKey of 4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile?
The InChIKey is VBTUWNFJUVHTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14-3-5-18-20(26-14)21(17(13-25)22(29)27(18)2)28-9-7-23(8-10-28)12-15-11-16(24)4-6-19(15)30-23/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile?
4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile has a molecular weight of 404.45 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 169123498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).